2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

C19H22N2O3S — CID 4786426

IUPAC2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(19(23)12-14-8-10-15(24-2)11-9-14)13-18(22)20-16-6-4-5-7-17(16)25-3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyKMJMBROOUYEUAL-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.06
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (PubChem CID 4786426) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
PubChem CID4786426
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(19(23)12-14-8-10-15(24-2)11-9-14)13-18(22)20-16-6-4-5-7-17(16)25-3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyKMJMBROOUYEUAL-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (CID 4786426) is 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The InChIKey is KMJMBROOUYEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(19(23)12-14-8-10-15(24-2)11-9-14)13-18(22)20-16-6-4-5-7-17(16)25-3/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 4786426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).